# generated using pymatgen data_Tm5P12Ir9Ru10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.48543385 _cell_length_b 12.52910520 _cell_length_c 3.91722299 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.84376835 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5P12Ir9Ru10 _chemical_formula_sum 'Tm5 P12 Ir9 Ru10' _cell_volume 531.51334954 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tm Tm0 1 0.33157520 0.66614601 0.50000000 1.0 Tm Tm1 1 0.66750547 0.33364877 0.50000000 1.0 Tm Tm2 1 0.18900057 0.18891861 0.00000000 1.0 Tm Tm3 1 0.81219826 0.99953016 0.00000000 1.0 Tm Tm4 1 0.00032260 0.81164609 0.00000000 1.0 P P5 1 0.30402227 0.82369588 0.00000000 1.0 P P6 1 0.16980838 0.48264050 0.00000000 1.0 P P7 1 0.51859664 0.69275196 0.00000000 1.0 P P8 1 0.82805006 0.30728346 0.00000000 1.0 P P9 1 0.48113616 0.17371275 0.00000000 1.0 P P10 1 0.69263757 0.51988322 0.00000000 1.0 P P11 1 0.36354547 0.36433167 0.50000000 1.0 P P12 1 0.63616812 0.99935358 0.50000000 1.0 P P13 1 0.00488012 0.63617160 0.50000000 1.0 P P14 1 0.81891313 0.81807348 0.50000000 1.0 P P15 1 0.18219791 0.00087668 0.50000000 1.0 P P16 1 0.00117601 0.18072448 0.50000000 1.0 Ir Ir17 1 0.36277920 0.49562227 0.00000000 1.0 Ir Ir18 1 0.50473418 0.87001437 0.00000000 1.0 Ir Ir19 1 0.63675780 0.13114643 0.00000000 1.0 Ir Ir20 1 0.49446483 0.36470574 0.00000000 1.0 Ir Ir21 1 0.86836712 0.50374943 0.00000000 1.0 Ir Ir22 1 0.71545919 0.71542302 0.00000000 1.0 Ir Ir23 1 0.28566191 0.00166531 0.00000000 1.0 Ir Ir24 1 0.00050810 0.28302187 0.00000000 1.0 Ir Ir25 1 0.99978335 0.99899090 0.50000000 1.0 Ru Ru26 1 0.19730541 0.81997305 0.50000000 1.0 Ru Ru27 1 0.18273390 0.37711329 0.50000000 1.0 Ru Ru28 1 0.62164753 0.80435067 0.50000000 1.0 Ru Ru29 1 0.81755578 0.19362165 0.50000000 1.0 Ru Ru30 1 0.37856799 0.18376523 0.50000000 1.0 Ru Ru31 1 0.80655249 0.62264355 0.50000000 1.0 Ru Ru32 1 0.12582674 0.63628563 0.00000000 1.0 Ru Ru33 1 0.54768815 0.54773720 0.50000000 1.0 Ru Ru34 1 0.45336452 0.00168038 0.50000000 1.0 Ru Ru35 1 0.99850488 0.44910113 0.50000000 1.0